(2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide

C11H20N2O2S — CID 94157804

IUPAC(2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide
SMILESCS[C@H](C)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C11H20N2O2S/c1-8(16-2)10(14)13-11(15)12-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H2,12,13,14,15)/t8-/m1/s1
InChIKeyDVLPTEKPRSVWPK-MRVPVSSYSA-N
MW244.36 g/mol
LogP1.90
Rot. Bonds3

About (2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide

(2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide (PubChem CID 94157804) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide
PubChem CID94157804
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name(2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide
SMILESCS[C@H](C)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C11H20N2O2S/c1-8(16-2)10(14)13-11(15)12-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H2,12,13,14,15)/t8-/m1/s1
InChIKeyDVLPTEKPRSVWPK-MRVPVSSYSA-N
XLogP1.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-methylsulfanylpropanamide
CID 126996006
2-chloro-N-(cyclohexylcarbamoyl)propanamide
CID 3827198
(2R)-N-(cyclohexylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 7557489
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 7841418
1-cyclopentyl-3-[(1R)-1-methylsulfanylethyl]urea
CID 149014671
(2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide
CID 8870587
N-cyclohexyl-2-silylpropanamide
CID 123581134
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 7863511
(2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8736919
(2S)-N-(cyclohexylcarbamoyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 8896287
2-(cycloheptylamino)-N-cyclohexylpropanamide
CID 43236394
N-cyclohexyl-2-(cyclooctylamino)propanamide
CID 43083622

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide?
The IUPAC name of (2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide (CID 94157804) is (2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide is CS[C@H](C)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of (2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide?
The InChIKey is DVLPTEKPRSVWPK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-8(16-2)10(14)13-11(15)12-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H2,12,13,14,15)/t8-/m1/s1.
What are the key properties of (2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide?
(2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide has a molecular weight of 244.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide is sourced from PubChem (CID 94157804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).